UCSF

ZINC43888217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 42 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 5.1 -27.9 7 10 0 168 571.678 12
Mid Mid (pH 6-8) 1.33 5.42 -55.35 8 10 1 169 572.686 12

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )